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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 266 families. | |||||
1 | 1YMT | - | DR9 | C40 H75 O10 P | CCCCCCCCC=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 220 families. | |||||
1 | 1YUC | - | EPH | C39 H68 N O8 P | CCCC=CCC=C.... |
2 | 1YMT | - | DR9 | C40 H75 O10 P | CCCCCCCCC=.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DR9 | 1 | 1 |
2 | PGV | 1 | 1 |
3 | PGW | 0.985507 | 1 |
4 | D3D | 0.985507 | 1 |
5 | OZ2 | 0.971831 | 1 |
6 | P6L | 0.957747 | 1 |
7 | PGT | 0.855072 | 0.977778 |
8 | LHG | 0.855072 | 0.977778 |
9 | RXY | 0.779221 | 0.830189 |
10 | L9Q | 0.766234 | 0.830189 |
11 | LOP | 0.766234 | 0.830189 |
12 | 6OU | 0.766234 | 0.830189 |
13 | P50 | 0.75 | 0.826923 |
14 | CD4 | 0.75 | 0.933333 |
15 | ZPE | 0.746835 | 0.830189 |
16 | 44G | 0.746479 | 0.977778 |
17 | PCW | 0.7375 | 0.706897 |
18 | PGK | 0.7375 | 0.916667 |
19 | P3A | 0.731707 | 0.956522 |
20 | D21 | 0.72973 | 0.913043 |
21 | DGG | 0.710843 | 0.916667 |
22 | B7N | 0.678571 | 0.843137 |
23 | CN3 | 0.675 | 0.933333 |
24 | GP7 | 0.674419 | 0.830189 |
25 | PSC | 0.659091 | 0.706897 |
26 | CN6 | 0.65 | 0.933333 |
27 | PEH | 0.649351 | 0.811321 |
28 | PEV | 0.649351 | 0.811321 |
29 | PTY | 0.649351 | 0.811321 |
30 | 3PE | 0.649351 | 0.811321 |
31 | 8PE | 0.649351 | 0.811321 |
32 | PEF | 0.649351 | 0.811321 |
33 | P5S | 0.64557 | 0.826923 |
34 | PEE | 0.641026 | 0.796296 |
35 | 9PE | 0.641026 | 0.811321 |
36 | 8SP | 0.632911 | 0.826923 |
37 | PEK | 0.632184 | 0.830189 |
38 | PX4 | 0.625 | 0.689655 |
39 | HGP | 0.625 | 0.689655 |
40 | PLD | 0.625 | 0.689655 |
41 | PC7 | 0.625 | 0.689655 |
42 | LIO | 0.625 | 0.689655 |
43 | 6PL | 0.625 | 0.689655 |
44 | HGX | 0.625 | 0.689655 |
45 | PG8 | 0.620253 | 0.934783 |
46 | PIE | 0.613636 | 0.788462 |
47 | F57 | 0.608108 | 0.891304 |
48 | LPP | 0.608108 | 0.891304 |
49 | 7PH | 0.608108 | 0.891304 |
50 | 3PH | 0.608108 | 0.891304 |
51 | 6PH | 0.608108 | 0.891304 |
52 | 7P9 | 0.6 | 0.891304 |
53 | PX2 | 0.6 | 0.869565 |
54 | PX8 | 0.6 | 0.869565 |
55 | S12 | 0.595238 | 0.826923 |
56 | LBN | 0.590909 | 0.666667 |
57 | L9R | 0.590909 | 0.666667 |
58 | POV | 0.590909 | 0.666667 |
59 | EPH | 0.589474 | 0.830189 |
60 | MVC | 0.589041 | 0.733333 |
61 | OLC | 0.589041 | 0.733333 |
62 | OLB | 0.589041 | 0.733333 |
63 | PA8 | 0.586667 | 0.869565 |
64 | AGA | 0.585366 | 0.934783 |
65 | XP5 | 0.580247 | 0.689655 |
66 | PII | 0.571429 | 0.823529 |
67 | 42H | 0.569767 | 0.741379 |
68 | CDL | 0.567901 | 0.847826 |
69 | PD7 | 0.56 | 0.891304 |
70 | 3TF | 0.55914 | 0.618182 |
71 | T7X | 0.557895 | 0.843137 |
72 | NKP | 0.556962 | 0.913043 |
73 | PSF | 0.555556 | 0.826923 |
74 | 78N | 0.554054 | 0.733333 |
75 | 78M | 0.554054 | 0.733333 |
76 | PIZ | 0.550562 | 0.788462 |
77 | PCK | 0.549451 | 0.655738 |
78 | 1O2 | 0.548387 | 0.618182 |
79 | TGL | 0.542857 | 0.644444 |
80 | M7U | 0.542169 | 0.891304 |
81 | 1WV | 0.540541 | 0.733333 |
82 | PIF | 0.54023 | 0.807692 |
83 | IP9 | 0.539326 | 0.788462 |
84 | HXG | 0.536585 | 0.689655 |
85 | PIO | 0.522222 | 0.807692 |
86 | 52N | 0.522222 | 0.807692 |
87 | 1EM | 0.513514 | 0.688889 |
88 | DDR | 0.513514 | 0.688889 |
89 | DGA | 0.513514 | 0.688889 |
90 | L2C | 0.513514 | 0.688889 |
91 | FAW | 0.513514 | 0.688889 |
92 | 44E | 0.513158 | 0.891304 |
93 | DLP | 0.510417 | 0.666667 |
94 | 1L2 | 0.504951 | 0.618182 |
95 | MC3 | 0.488636 | 0.649123 |
96 | PCF | 0.488636 | 0.649123 |
97 | PC1 | 0.488636 | 0.649123 |
98 | PDK | 0.485437 | 0.704918 |
99 | BQ9 | 0.482759 | 0.711111 |
100 | LPX | 0.481928 | 0.792453 |
101 | GGD | 0.481132 | 0.625 |
102 | LBR | 0.469136 | 0.638298 |
103 | 1QW | 0.465753 | 0.711111 |
104 | GYM | 0.465753 | 0.711111 |
105 | EKG | 0.465753 | 0.711111 |
106 | LPC | 0.465116 | 0.724138 |
107 | LAP | 0.465116 | 0.724138 |
108 | K6G | 0.465116 | 0.724138 |
109 | LP3 | 0.465116 | 0.724138 |
110 | PGM | 0.457831 | 0.913043 |
111 | NKN | 0.443038 | 0.891304 |
112 | NKO | 0.443038 | 0.891304 |
113 | SQD | 0.43299 | 0.630769 |
114 | 2JT | 0.430556 | 0.652174 |
115 | G2A | 0.430556 | 0.652174 |
116 | CN5 | 0.426966 | 0.913043 |
117 | DGD | 0.421569 | 0.607143 |
118 | OPC | 0.405941 | 0.694915 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1ymt.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |